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SMILES: CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1

InChI Key: InChIKey=UAUWCZVUUQCUBV-QGQKXLEHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133991   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)		BDBM50133991
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C32H37N3O5/c1-3-19-40-25-14-12-22(13-15-25)21-6-8-23(9-7-21)30(37)33-17-4-5-27(33)32(39)34-18-16-26-28(34)20(2)29(36)35(26)31(38)24-10-11-24/h6-9,12-15,20,24,26-28H,3-5,10-11,16-19H2,1-2H3/t20-,26-,27-,28+/m0/s1
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Similars
Article
PubMed
 79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay

J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair